6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine

C11H10F3N3 — CID 64690530

IUPAC6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine
SMILESNC1=NN=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(15)17-16-9/h1-3,6H,4-5H2,(H2,15,17)
InChIKeyFTKFLSXEQIWBIV-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.56
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine

6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine (PubChem CID 64690530) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine
PubChem CID64690530
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine
SMILESNC1=NN=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(15)17-16-9/h1-3,6H,4-5H2,(H2,15,17)
InChIKeyFTKFLSXEQIWBIV-UHFFFAOYSA-N
XLogP2.56
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
4-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 57077686
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79557110
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
2-methyl-5-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 11085932
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
aniline;3-(trifluoromethyl)aniline
CID 160634583
3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119002862
4-[3-(trifluoromethyl)phenyl]furan-2-amine
CID 90487673

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine (CID 64690530) is 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine is NC1=NN=C(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine?
The InChIKey is FTKFLSXEQIWBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(15)17-16-9/h1-3,6H,4-5H2,(H2,15,17).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine?
6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine has a molecular weight of 241.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64690530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).